雌三醇苯甲酸二乙酸酯
TL;DR: 雌三醇苯甲酸二乙酸酯 (CAS 941678-49-5) is a chemical compound with molecular formula C29H32O6 and molecular weight 476.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
雌三醇苯甲酸二乙酸酯
(16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) benzoate
Also Known As: Ruxolitinib, estriol benzoate diacetate, (3R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile, (16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) benzoate
| Molecular Formula | C29H32O6 |
|---|---|
| Molecular Weight | 476.22 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.21988 |
| Heavy Atoms | 35 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 941678-49-5 |
|---|---|
| SMILES | CC(=O)OC1CC2C3CCC4=C(C3CCC2(C1OC(=O)C)C)C=CC(=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | VQHGRIUWSVCJPX-UHFFFAOYSA-N |
Product Overview
雌三醇苯甲酸二乙酸酯 (CAS 941678-49-5), with molecular formula C29H32O6 and molecular weight 476.22 g/mol. IUPAC: (16,17-diacetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) benzoate.
Chemical Property Profile of 雌三醇苯甲酸二乙酸酯
Property Insights of 雌三醇苯甲酸二乙酸酯
The XLogP value of 5.4 indicates that 鲁索利替尼 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 雌三醇苯甲酸二乙酸酯. Following Lipinski's Rule of Five, 鲁索利替尼 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 鲁索利替尼?
The CAS number of 鲁索利替尼 is 941678-49-5.
What is the molecular formula of 鲁索利替尼?
The molecular formula of 鲁索利替尼 is C29H32O6.
What is the molecular weight of 鲁索利替尼?
The molecular weight of 鲁索利替尼 is 476.22 g/mol.
Where can I buy 鲁索利替尼?
You can request a quote for 鲁索利替尼 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 鲁索利替尼?
Yes, KEHONG BIO provides custom synthesis services for 鲁索利替尼 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.